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2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)acetamide

View entire compound with spectra: 2 NMR

2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)acetamide
SpectraBase Compound ID DwMAFtm33nt
InChI InChI=1S/C27H21ClN4O2S/c1-34-24-12-5-4-10-22(24)26-30-31-27(32(26)20-15-13-19(28)14-16-20)35-17-25(33)29-23-11-6-8-18-7-2-3-9-21(18)23/h2-16H,17H2,1H3,(H,29,33)
InChIKey RPHDHHBEJOPOHC-UHFFFAOYSA-N
Mol Weight 501.0 g/mol
Molecular Formula C27H21ClN4O2S
Exact Mass 500.107375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID gTBYMjHev5
Name 2-{[4-(4-Chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.107374804 u
Formula C27H21ClN4O2S
InChI InChI=1S/C27H21ClN4O2S/c1-34-24-12-5-4-10-22(24)26-30-31-27(32(26)20-15-13-19(28)14-16-20)35-17-25(33)29-23-11-6-8-18-7-2-3-9-21(18)23/h2-16H,17H2,1H3,(H,29,33)
InChIKey RPHDHHBEJOPOHC-UHFFFAOYSA-N
Molecular Weight 501.004 g/mol
SMILES N(C=1C2=C(C=CC=C2)C=CC1)C(CSC=1N(C(=NN1)C1=C(OC)C=CC=C1)C=1C=CC(=CC1)Cl)=O